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TitlePotent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
Journal, issue, pagesEBioMedicine, Vol. 24, Page 76-92, Year 2017
Publish dateNov 9, 2016 (structure data deposition date)
AuthorsRuderisch, N. / Schlatter, D. / Kuglstatter, A. / Guba, W. / Huber, S. / Cusulin, C. / Benz, J. / Rufer, A.C. / Hoernschemeyer, J. / Schweitzer, C. ...Ruderisch, N. / Schlatter, D. / Kuglstatter, A. / Guba, W. / Huber, S. / Cusulin, C. / Benz, J. / Rufer, A.C. / Hoernschemeyer, J. / Schweitzer, C. / Bulau, T. / Gartner, A. / Hoffmann, E. / Niewoehner, J. / Patsch, C. / Baumann, K. / Loetscher, H. / Kitas, E. / Freskgard, P.O.
External linksEBioMedicine / PubMed:28923680
MethodsX-ray diffraction
Resolution1.82 - 2.95 Å
Structure data

PDB-5mbw:
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH Pep#3
Method: X-RAY DIFFRACTION / Resolution: 2.95 Å

PDB-5mco:
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE INHIBITOR GRL-8234 AND EXOSITE PEPTIDE
Method: X-RAY DIFFRACTION / Resolution: 2.49 Å

PDB-5mcq:
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE AND EXOSITE BINDING PEPTIDE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-BSD:
N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
KeywordsHYDROLASE / PROTEASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / EXOSITE

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